Previous Thread
Next Thread
Print Thread
What command is used to fix angle?
#37739 11/27/19 07:38 AM
Joined: Aug 2019
Posts: 14
S
sohyeon Offline OP
Forum Member
OP Offline
Forum Member
S
Joined: Aug 2019
Posts: 14
Dear all.
I want to fix angles of between two kinds of molecules (resn X and Y) .
If there are two molecules X (that has atom a and b) and Y (that has atom c).
molecule X ; atom type a, atom type b
molecule Y ; atom type c
I wanna fix angle(a-b-c) to 180.

Is there a command or way to fix like that??

Thank you very much.

Re: What command is used to fix angle?
sohyeon #37740 11/27/19 08:25 AM
Joined: Sep 2003
Posts: 4,794
Likes: 2
Forum Member
Online Content
Forum Member
Joined: Sep 2003
Posts: 4,794
Likes: 2
There is the CONS IC command (const.info or const.doc) which may work, although a linear angle may be difficult. You would first need to setup an IC table with this angle (intcor.info), e.g.
IC EDIT
ANGLE atom-a atom-b atom-c 180
END


Lennart Nilsson
Karolinska Institutet
Stockholm, Sweden

Moderated by  BRBrooks, lennart, rmv 

Link Copied to Clipboard
Powered by UBB.threads™ PHP Forum Software 7.7.4
(Release build 20200307)
Responsive Width:

PHP: 5.6.33-0+deb8u1 Page Time: 0.006s Queries: 18 (0.002s) Memory: 0.8932 MB (Peak: 0.9604 MB) Data Comp: Off Server Time: 2020-10-01 16:48:35 UTC
Valid HTML 5 and Valid CSS